Molecule ID: mol18633

SMILES: CCN(CC)CCCCCOc1cc2oc3cc(OCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C

InChI: InChI=1S/C42H64N2O6/c1-10-43(11-2)24-16-14-18-26-48-34-28-36-39(40(45)32(34)22-20-30(5)6)41(46)38-33(23-21-31(7)8)42(47-9)37(29-35(38)50-36)49-27-19-15-17-25-44(12-3)13-4/h20-21,28-29,45H,10-19,22-27H2,1-9H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.98 OCHEM 0 » -1
10.98 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization